5-(2-甲基-2-丙基)-2-糠酰氯 | 57489-92-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 中文名称: 5-(2-甲基-2-丙基)-2-糠酰氯
• 英文名称: 5-tert-butyl-furan-2-carbonyl chloride
• 英文别名: 5-tert-Butyl-furan-2-carbonylchlorid；5-tert-Butylfuran-2-carbonyl chloride
• CAS: 57489-92-6
• 化学式: C₉H₁₁ClO₂
• 分子量: 186.638
• InChiKey: AAOMMTQABPVSFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  30.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-(2-甲基-2-丙基)-2-糠酰氯 在 乙醚 、 氨 作用下， 生成 5-叔-丁基-2-呋喃甲酰胺
  参考文献：
  名称：

  Studies in the Furan Series. Chloralfuramides and Some of their Reactions

  摘要：

  DOI：

  10.1021/ja01106a025
• 作为产物：
  描述：

  5-叔丁基呋喃-2-羧酸 在 氯化亚砜 作用下， 生成 5-(2-甲基-2-丙基)-2-糠酰氯
  参考文献：
  名称：

  Super-Aromatic Properties of Furan. II. The Friedel—Crafts Reaction

  摘要：

  DOI：

  10.1021/ja01337a053

文献信息

• Furan Ring Opening - Pyridine Ring Closure: New Route to Quinolines under the Bischler-Napieralski Reaction Conditions
  作者：Alexander Butin、Fatima Tsiunchik、Olga Kostyukova、Maxim Uchuskin、Igor Trushkov

  DOI：10.1055/s-0030-1260118

  日期：2011.8

  A new approach to highly functionalized quinolines is proposed. This approach is based on the electrophilic recyclization of 2-[2-(acylamino)benzyl]furans under the Bischler-Napieralski reaction conditions. furans - ring opening - ring closure - fused-ring systems - quinolines - Bischler-Napieralski reaction

  提出了一种高度功能化喹啉的新方法。该方法基于在Bischler-Napieralski反应条件下2- [2-（酰基氨基）苄基]呋喃的亲电再循环。 呋喃-开环-闭环-稠环系统-喹啉-Bischler-Napieralski反应
• Manfredini; Simoni; Caminiti, Medicinal Chemistry Research, 1998, vol. 8, # 6, p. 291 - 304
  作者：Manfredini、Simoni、Caminiti、Vertuani、Invidiata、Moscato、Hatse、De Clercq、Balzarini

  DOI：——

  日期：——
• Orientation in the Furan Series. X. Anomalous Friedel—Crafts Reactions
  作者：Henry Gilman、Robert R. Burtner

  DOI：10.1021/ja01308a039

  日期：1935.5
• Cholinergic agents structurally related to furtrethonium. 1
  作者：S Manfredini、M Guarneri、D Simoni、E Grana、C Boselli、F Zonta、A Feriani、G Gaviraghi、G Toson

  DOI：10.1016/0223-5234(94)90213-5

  日期：1994.1

  A series of 5-substituted-2-(dimethylaminomethyl)-furyl derivatives 4 was prepared, with the aim of discovering novel antimuscarinic agents which are selective for smooth muscle as opposed to cardiac tissue. Both non-quaternary and quaternary ammonium compounds were synthesised. The agonist starting point, furtrethonium 3, was gradually transformed into antagonist by introduction of lipophilic and bulky groups in position 5 of this molecule. In particular, the introduction of alpha-hydroxy-alpha-cyclohexylbenzyl moiety (compound 9b), a lipophilic group characteristic of antimuscarinic agents, caused an appreciable increase of the antagonist's potency, and the lengthening of the distance between this lipophilic group and the furan ring, obtained by introduction of an ester, ether or amide group, led to some selectivity towards smooth muscle (compounds 19, 21, 25). Interestingly, compound 19, with an ester moiety as a spacer group, proved to be at least 20 times more potent in rat ileum (pK(B) = 7.3) and rat bladder (pK(B) = 7.2) than guinea-pig atria (pK(B) = 5.9).
• Esters of cortical hormones
  申请人：SCHERING CORP

  公开号：US02783226A1

  公开（公告）日：1957-02-26